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Home > Nitro Compounds > 78333-24-1
78333-24-1 | Benzenesulfonic acid, 2,2'-(1Z)-1,2-ethenediylbis[5-nitro-
CAS No: 78333-24-1 Catalog No: AG0053PJ MDL No:
Product Description
Catalog Number:
AG0053PJ
Chemical Name:
Benzenesulfonic acid, 2,2'-(1Z)-1,2-ethenediylbis[5-nitro-
CAS Number:
78333-24-1
Molecular Formula:
C14H10N2O10S2
Molecular Weight:
430.3666
IUPAC Name:
5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI:
InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)
InChI Key:
UETHPMGVZHBAFB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-]
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.978g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.358g/mol
Monoisotopic Mass:
429.978g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
217A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
Literature
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